David van der Spoel
Groningen
The Netherlands

Tuesday, October 29, 1996
2:00 pm (CT)
3269 Beckman Institute

Abstract

In order to study side chain dynamics in proteins and peptides, we look at dihedral transitions in various systems. We introduce a dihedral correlation function that is not dependent on the dihedral angle distribution. Using this correlation function we can study the dynamics of individual torsion angles as well as an ensemble of torsion angles. The analysis is applied to a number of systems: butane, a short peptide (Leu-Enkephalin), and a larger protein. Analysis of the protein reveals that most side chains are rigid, but not all.

Tea and coffee will be served in R3151 Beckman Institute at 2:15pm.